SCHEMBL5630264

SCHEMBL5630264

COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(=O)(=O)S(C)(=O)=O)cc2)cn1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.86
PTGS1 P23219 9/20 0.86

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3242262 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5421893 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5425292 0.84 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5429422 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5416957 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6281419 0.80 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL214170 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594093 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8658703 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594011 0.78 PTGS2 (1.00) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 EP disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed